CID 28303647

1993232-10-2

Structural Information

Molecular Formula
C13H19N3
SMILES
CC(C)CN1C2=CC=CC=C2N=C1CCN
InChI
InChI=1S/C13H19N3/c1-10(2)9-16-12-6-4-3-5-11(12)15-13(16)7-8-14/h3-6,10H,7-9,14H2,1-2H3
InChIKey
NUKKCWZSLVXKNE-UHFFFAOYSA-N
Compound name
2-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.16518 151.1
[M+Na]+ 240.14712 160.0
[M-H]- 216.15062 152.9
[M+NH4]+ 235.19172 169.9
[M+K]+ 256.12106 156.1
[M+H-H2O]+ 200.15516 143.5
[M+HCOO]- 262.15610 173.3
[M+CH3COO]- 276.17175 193.1
[M+Na-2H]- 238.13257 155.5
[M]+ 217.15735 152.9
[M]- 217.15845 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.